SCHEMBL6540755

SCHEMBL6540755

C[C@H](Cc1ccc(S(=O)(=O)Cl)cc1)NC(=O)C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.46
KCNH2 Q12809 1/20 0.46
ACACB O00763 14/20 0.44
GAA P10253 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
LMNA P02545 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8420834 1.00 ESR1 (0.46) ESR1KCNH2ACACBGAANPC1
SCHEMBL6678014 1.00 ESR1 (0.46) ESR1KCNH2ACACBGAANPC1
SCHEMBL9185371 0.86 GAA (0.41) ACACBGAANPC1RAB9A
SCHEMBL6539913 0.84 ESR1 (0.46) ESR1KCNH2ACACBGAANPC1
SCHEMBL6541437 0.84 ESR1 (0.46) ESR1KCNH2ACACBGAANPC1
SCHEMBL12204087 0.82 ACACB (0.57) ESR1KCNH2ACACBNPC1RAB9A
SCHEMBL6677082 0.82 ACACB (0.50) ESR1KCNH2ACACBGAANPC1
SCHEMBL8986819 0.81 ESR1 (0.54) ESR1KCNH2ACACBNPC1RAB9A
SCHEMBL8986825 0.81 ESR1 (0.54) ESR1KCNH2ACACBNPC1RAB9A
SCHEMBL11959175 0.81 ACACB (0.56) ESR1KCNH2ACACBGAANPC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040138462-A1 Aminoalcohol derivatives ASTELLAS PHARMA INC. (JP) 2004-07-15 US disclosed
US-20040106653-A1 Aminoalcohol derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-06-03 US disclosed
WO-2004045610-A1 AMINOALCOHOL DERIVATIVES AND THEIR USE AS BETA-3 ADRENERGIC RECEPTOR AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD (JP) 2004-06-03 WO disclosed
EP-1389185-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-02-18 EP disclosed
WO-2002094770-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-28 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040138462-A1 Aminoalcohol derivatives BPHL, FANCD2, HRH2 ESR1 2525/4885KCNH2 211/4885ACACB 3020/4885
US-20040106653-A1 Aminoalcohol derivatives FANCD2, FANCI, HRH2 ESR1 3850/4885KCNH2 184/4885ACACB 1800/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.